Water → HCID 67128324, compound

HRID 319193Notes

Reaction equation

[CH2:35]([CH3:36])[O:37][C:38]([c:39]1[cH:40][cH:41][c:42]([NH2:45])[cH:43][cH:44]1)=[O:46].[CH3:62][C:63]#[N:64].[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[N:1]1([CH:6]([C:7](=[O:8])[OH:9])[CH3:10])[CH2:2][CH2:3][CH2:4][CH2:5]1.[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:61].[P-:11]([F:12])([F:13])([F:14])([F:15])([F:16])[F:17].[n:18]1([O:19][C:20]([N:21]([CH3:22])[CH3:23])=[N+:24]([CH3:25])[CH3:26])[c:27]2[n:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1>>[N:1]1([CH:6]([C:7](=[O:9])[NH:45][c:42]2[cH:41][cH:40][c:39]([C:38]([O:37][CH2:35][CH3:36])=[O:46])[cH:44][cH:43]2)[CH3:10])[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

Reactant 8

HCID 962Water

HCID 2337Benzocaine

HCID 6228Dimethylformamide

HCID 6342Acetonitrile

HCID 9886Hexafluorophosphate

HCID 81531Diisopropylethylamine

HCID 31571772-(Pyrrolidin-1-yl)propanoic acid

HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

Product 1

HCID 67128324HCID 67128324, compound

Sources & evidence

ORD record: ord-6fb2b12499a14a33a9dfaf18cc1a9601
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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